1FQM
X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 130 |
Detector technology | IMAGE PLATE |
Collection date | 1998-09-08 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.800, 41.290, 72.350 |
Unit cell angles | 90.00, 103.75, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.26800 |
RMSD bond length | 0.013 * |
RMSD bond angle | 25.800 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.059 | 0.121 |
Total number of observations | 41762 * | |
Number of reflections | 15386 | |
<I/σ(I)> | 15.3 | |
Completeness [%] | 93.5 | 84.5 |
Redundancy | 2.7 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 25 * | ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-SO4 | 50 (mM) | |
2 | 1 | reservoir | ammonium sulfate | 2.75-2.85 (M) | |
3 | 1 | drop | protein | 10 (mg/ml) |